1-(2-propylcyclopropyl)-3-(thiadiazol-5-yl)urea

C9H14N4OS — CID 119049279

IUPAC1-(2-propylcyclopropyl)-3-(thiadiazol-5-yl)urea
SMILESCCCC1CC1NC(=O)Nc1cnns1
InChIInChI=1S/C9H14N4OS/c1-2-3-6-4-7(6)11-9(14)12-8-5-10-13-15-8/h5-7H,2-4H2,1H3,(H2,11,12,14)
InChIKeyPKFQAZSMQNKIBN-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.85
Rot. Bonds4

About 1-(2-propylcyclopropyl)-3-(thiadiazol-5-yl)urea

1-(2-propylcyclopropyl)-3-(thiadiazol-5-yl)urea (PubChem CID 119049279) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-(2-propylcyclopropyl)-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(2-propylcyclopropyl)-3-(thiadiazol-5-yl)urea
PubChem CID119049279
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name1-(2-propylcyclopropyl)-3-(thiadiazol-5-yl)urea
SMILESCCCC1CC1NC(=O)Nc1cnns1
InChIInChI=1S/C9H14N4OS/c1-2-3-6-4-7(6)11-9(14)12-8-5-10-13-15-8/h5-7H,2-4H2,1H3,(H2,11,12,14)
InChIKeyPKFQAZSMQNKIBN-UHFFFAOYSA-N
XLogP1.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-propylcyclopropyl)-3-(thiadiazol-5-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylcyclopropyl)-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-(2-propylcyclopropyl)-3-(thiadiazol-5-yl)urea (CID 119049279) is 1-(2-propylcyclopropyl)-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(2-propylcyclopropyl)-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-(2-propylcyclopropyl)-3-(thiadiazol-5-yl)urea is CCCC1CC1NC(=O)Nc1cnns1.
What is the InChIKey of 1-(2-propylcyclopropyl)-3-(thiadiazol-5-yl)urea?
The InChIKey is PKFQAZSMQNKIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-2-3-6-4-7(6)11-9(14)12-8-5-10-13-15-8/h5-7H,2-4H2,1H3,(H2,11,12,14).
What are the key properties of 1-(2-propylcyclopropyl)-3-(thiadiazol-5-yl)urea?
1-(2-propylcyclopropyl)-3-(thiadiazol-5-yl)urea has a molecular weight of 226.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylcyclopropyl)-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 119049279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).